J047-0182 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

J047-0182 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
J047-0182 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0182
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J047-0182

Molecular Formula

C24H20N4O3S (C24 H20 N4 O3 S)

Compound Name

2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(NCc2ccco2)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C24H20N4O3S/c1-16-8-10-18(11-9-16)28-23(21-13-17-5-2-3-7-20(17)31-21)26-27-24(28)32-15-22(29)25-14-19-6-4-12-30-19/h2-13H,14-15H2,1H3,(H,25,29)

InChI Key

JEBSZZANVXUBBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.80

Polar Surface Area

65.226

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

J047-0182 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J047-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0182?
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What is the minimum amount of J047-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0182
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J047-0182 available by request